SCHEMBL3018285

SCHEMBL3018285

COc1cc(CNC(=O)c2ccc3cc(C(=O)NO)ccc3c2)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.63
HDAC6 Q9UBN7 5/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC2 Q92769 3/20 0.63
HDAC5 Q9UQL6 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
MMP13 P45452 2/20 0.57
KDM1A O60341 2/20 0.55
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
NAMPT P43490 1/20 0.54
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3035661 0.88 MMP13 (0.76) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3029153 0.86 HDAC1 (0.71) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3032563 0.86 NAMPT (0.55) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3038715 0.86 MMP13 (0.72) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3036981 0.85 AURKA (0.64) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3032556 0.83 HDAC1 (0.66) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3035835 0.80 HDAC6 (0.66) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3034687 0.80 HDAC6 (0.83) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL1535771 0.80 MMP13 (0.67) HDAC1HDAC6MMP13LMNAHPGD
SCHEMBL13491459 0.79 EGLN1 (0.61) MMP13LMNANAMPTHTTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US claimed
EP-2205070-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP claimed
WO-2009045385-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-04-09 WO claimed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 HDAC1 5/4885HDAC6 31/4885HDAC8 7/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.